RefMet Compound Details

RefMet ID	RM0136057
MW structure	37599 (View MW Metabolite Database details)
RefMet name	Carbamoylphosphate
Systematic name	(carbamoyloxy)phosphonic acid
SMILES	C(=O)(N)OP(=O)(O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	140.982709 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	CH4NO5P	View other entries in RefMet with this formula
InChI	InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)
InChIKey	FFQKYPRQEYGKAF-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic acids
Main Class	Organic phosphoric acids
Sub Class	Organic phosphoric acids
Pubchem CID	278
ChEBI ID	17672
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Carbamoylphosphate

Rxn ID	KEGG Reaction	Enzyme
R00149	2 ATP + Ammonia + CO2 + H2O <=> 2 ADP + Orthophosphate + Carbamoyl phosphate	Carbon-dioxide:ammonia ligase (ADP-forming,carbamate-phosphorylating)
R00150	ATP + Ammonia + HCO3- <=> ADP + Carbamoyl phosphate + H2O	ATP:carbamate phosphotransferase
R00484	N-Carbamoyl-L-aspartate + H2O <=> L-Aspartate + CO2 + Ammonia	N-Carbamoyl-L-aspartate amidohydrolase
R00575	2 ATP + L-Glutamine + HCO3- + H2O <=> 2 ADP + Orthophosphate + L-Glutamate + Carbamoyl phosphate	HCO3-:L-glutamine amido-ligase (ADP-forming, carbamate-phosphorylating)
R01397	Carbamoyl phosphate + L-Aspartate <=> Orthophosphate + N-Carbamoyl-L-aspartate	carbamoyl-phosphate:L-aspartate carbamoyltransferase

Table of KEGG human pathways containing Carbamoylphosphate

Pathway ID	Human Pathway	# of reactions
hsa00250	Alanine, aspartate and glutamate metabolism	3
hsa00240	Pyrimidine metabolism	2
hsa01230	Biosynthesis of amino acids	2
hsa00220	Arginine biosynthesis	2
hsa01100	Metabolic pathways	2
hsa00910	Nitrogen metabolism	1
hsa01200	Carbon metabolism	1